4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide

C21H18N4O2 — CID 55736145

IUPAC4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
SMILESCn1ccnc1COc1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C21H18N4O2/c1-25-13-12-23-20(25)14-27-16-9-7-15(8-10-16)21(26)24-19-6-2-5-18-17(19)4-3-11-22-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyLUEIKJJZBDOXIA-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.80
Rot. Bonds5

About 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide

4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide (PubChem CID 55736145) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
PubChem CID55736145
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
SMILESCn1ccnc1COc1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C21H18N4O2/c1-25-13-12-23-20(25)14-27-16-9-7-15(8-10-16)21(26)24-19-6-2-5-18-17(19)4-3-11-22-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyLUEIKJJZBDOXIA-UHFFFAOYSA-N
XLogP3.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55920467
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
4-(diethylamino)-N-quinolin-5-ylbenzamide
CID 112767915

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide (CID 55736145) is 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide is Cn1ccnc1COc1ccc(C(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide?
The InChIKey is LUEIKJJZBDOXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-25-13-12-23-20(25)14-27-16-9-7-15(8-10-16)21(26)24-19-6-2-5-18-17(19)4-3-11-22-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide?
4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 55736145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).